PDB-6wv1: Crystal Structure of Recombinant Human Acetylcholinesterase In Co...

ID or keywords:

Entry

Database: PDB / ID: 6wv1

Title

Crystal Structure of Recombinant Human Acetylcholinesterase In Complex with GB and HI-6

Components

Acetylcholinesterase

Keywords

HYDROLASE / nerve agent / acetylcholinesterase / tabun / GA

Function / homology

Function and homology information

negative regulation of synaptic transmission, cholinergic / Neurotransmitter clearance / acetylcholine catabolic process in synaptic cleft / cholinesterase activity / serine hydrolase activity / acetylcholine catabolic process / acetylcholine binding / amyloid precursor protein metabolic process / acetylcholinesterase / acetylcholine receptor signaling pathway ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.372 Å

Authors

McGuire, J.R. / Bester, S.M. / Pegan, S.D. / Height, J.J.

Funding support

United States, 1items

Citation

Journal: Chem.Res.Toxicol. / Year: 2021
Title: Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6.
Authors: McGuire, J.R. / Bester, S.M. / Guelta, M.A. / Cheung, J. / Langley, C. / Winemiller, M.D. / Bae, S.Y. / Funk, V. / Myslinski, J.M. / Pegan, S.D. / Height, J.J.

History

Deposition	May 5, 2020	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 17, 2021	Provider: repository / Type: Initial release
Revision 1.1	Mar 31, 2021	Group: Database references / Category: citation / citation_author Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID
Revision 1.2	Oct 18, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	6wv1.cif.gz	443.2 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	6wv1_validation.pdf.gz	2.8 MB	Display	wwPDB validaton report
Full document	6wv1_full_validation.pdf.gz	2.9 MB	Display
Data in XML	6wv1_validation.xml.gz	44.4 KB	Display
Data in CIF	6wv1_validation.cif.gz	62.4 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/wv/6wv1 ftp://data.pdbj.org/pub/pdb/validation_reports/wv/6wv1	HTTPS FTP

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Related structure data

Related structure data	6wuvC 6wuyC 6wuzC 6wvcC 6wvoC 6wvpC 6wvqC 4ey4S C: citing same article (ref.) S: Starting model for refinement
Similar structure data	2xug-d 5fpq-1 6ntg-1 6wvo-d 5hf9-d 6ntm-1 5foq-d 6fse-d 6wuy-1 2xui-d 5fum-d 6u37-1 2h9y-d 6f25-d 1hbj-1 4bc0-1 4b82-d 6cqv-1 1qii-1 3dl7-d Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#54 - Jun 2004 Acetylcholinesterase similarity (15) #194 - Feb 2016 Designer Insulins similarity (1) #52 - Apr 2004 Growth Hormone similarity (1) #141 - Sep 2011 O-GlcNAc Transferase similarity (1) #14 - Feb 2001 Insulin similarity (1) #184 - Apr 2015 Glucagon similarity (1) #149 - May 2012 Leptin similarity (1) #202 - Oct 2016 Dipeptidyl Peptidase 4 similarity (1) #222 - Jun 2018 Proteins and Nanoparticles similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#54 - Jun 2004
Acetylcholinesterase
similarity (15)
#194 - Feb 2016
Designer Insulins
similarity (1)
#52 - Apr 2004
Growth Hormone
similarity (1)
#141 - Sep 2011
O-GlcNAc Transferase
similarity (1)
#14 - Feb 2001
Insulin
similarity (1)
#184 - Apr 2015
Glucagon
similarity (1)
#149 - May 2012
Leptin
similarity (1)
#202 - Oct 2016
Dipeptidyl Peptidase 4
similarity (1)
#222 - Jun 2018
Proteins and Nanoparticles
similarity (1)

Deposited unit

A: Acetylcholinesterase

B: Acetylcholinesterase

hetero molecules

122 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Acetylcholinesterase

hetero molecules

B: Acetylcholinesterase

hetero molecules

defined by author&software
122 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	104.183, 104.183, 323.760
Angle α, β, γ (deg.)	90.000, 90.000, 120.000
Int Tables number	152
Space group name H-M	P3₁21

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Protein , 1 types, 2 molecules AB

#1: Protein	Acetylcholinesterase / AChE Mass: 59447.105 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: ACHE / Production host: Homo sapiens (human) / References: UniProt: P22303, acetylcholinesterase

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Sugars , 2 types, 4 molecules

#2: Polysaccharide

2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta- ...

Type: oligosaccharide / Mass: 570.542 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source

Descriptor	Type	Program
DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-	Glycam Condensed Sequence	GMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-1-2/a4-b1_a6-c1	WURCS	PDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}[(6+1)][a-L-Fucp]{}}}	LINUCS	PDB-CARE

#3: Sugar

ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE

Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Formula: C₈H₁₅NO₆

Identifier	Type	Program
DGlcpNAcb	CONDENSED IUPAC CARBOHYDRATE SYMBOL	GMML 1.0
N-acetyl-b-D-glucopyranosamine	COMMON NAME	GMML 1.0
b-D-GlcpNAc	IUPAC CARBOHYDRATE SYMBOL	PDB-CARE 1.0
GlcNAc	SNFG CARBOHYDRATE SYMBOL	GMML 1.0

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Non-polymers , 4 types, 418 molecules

#4: Chemical	ChemComp-7PE / 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL / POLYETHYLENE GLYCOL FRAGMENT Mass: 310.384 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₄H₃₀O₇
#5: Chemical	ChemComp-UCJ / propan-2-yl hydrogen (S)-methylphosphonate Mass: 138.102 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₄H₁₁O₃P / Feature type: SUBJECT OF INVESTIGATION
#6: Chemical	ChemComp-HI6 / 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM / 1-(2-HYDROXY-IMINOMETHYLPYRIDINIUM)-1-(4-CARBOXYAMINO)-PYRIDINIUM DIMETHYLETHER Mass: 288.302 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₁₄H₁₆N₄O₃ / Feature type: SUBJECT OF INVESTIGATION
#7: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 413 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	Y

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 4.27 Å³/Da / Density % sol: 71.17 % / Mosaicity: 0.369 °
Crystal grow	Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 7 / Details: PEG 3350, KNO3

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 22-ID / Wavelength: 1 Å

Detector

Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Jul 16, 2016

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 1 Å / Relative weight: 1

Reflection

Resolution: 2.37→50 Å / Num. obs: 83198 / % possible obs: 99.5 % / Redundancy: 3.3 % / B_iso Wilson estimate: 41.71 Å² / R_merge(I) obs: 0.069 / R_pim(I) all: 0.042 / R_rim(I) all: 0.082 / Χ²: 1.491 / Net I/σ(I): 17.6 / Num. measured all: 276379

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. unique obs	CC_1/2	R_pim(I) all	R_rim(I) all	Χ²	% possible all
2.37-2.41	3.2	0.343	4101	0.927	0.218	0.408	1.107	100
2.41-2.45	3.4	0.301	4095	0.942	0.19	0.358	1.136	100
2.45-2.5	3.4	0.27	4153	0.952	0.169	0.32	1.185	100
2.5-2.55	3.4	0.231	4083	0.962	0.146	0.274	1.167	100
2.55-2.61	3.4	0.21	4144	0.964	0.132	0.249	1.211	100
2.61-2.67	3.3	0.193	4127	0.97	0.122	0.23	1.434	99.7
2.67-2.74	3.4	0.16	4134	0.98	0.1	0.189	1.388	99.9
2.74-2.81	3.4	0.134	4144	0.985	0.083	0.158	1.404	100
2.81-2.89	3.4	0.116	4129	0.989	0.071	0.137	1.436	100
2.89-2.99	3.4	0.101	4133	0.987	0.062	0.12	1.549	100
2.99-3.09	3.4	0.091	4110	0.986	0.055	0.107	1.631	99.9
3.09-3.22	3.3	0.089	4185	0.991	0.054	0.105	1.746	99.9
3.22-3.36	3.4	0.084	4157	0.991	0.05	0.098	1.773	99.9
3.36-3.54	3.3	0.078	4160	0.992	0.046	0.091	1.821	99.7
3.54-3.76	3.3	0.066	4164	0.991	0.04	0.078	1.723	99.6
3.76-4.05	3.3	0.058	4159	0.994	0.035	0.068	1.669	99.5
4.05-4.46	3.3	0.054	4204	0.994	0.033	0.064	1.8	99.4
4.46-5.1	3.3	0.057	4232	0.993	0.035	0.067	1.634	99.5
5.1-6.43	3.3	0.049	4260	0.994	0.03	0.058	1.603	98.6
6.43-50	3.2	0.037	4324	0.997	0.024	0.045	1.382	95.5

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Processing

Software

Name	Version	Classification
HKL-2000		data reduction
HKL-2000		data scaling
PHENIX	1.17.1-3660	refinement
PDB_EXTRACT	3.25	data extraction
PHENIX	1.17.1-3660	phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4EY4

4ey4

Resolution: 2.372→37.015 Å / SU ML: 0.21 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 21.21 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.1988	4141	4.99 %
R_work	0.1663	78905	-
obs	0.1679	83046	99.35 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso max: 139.72 Å² / B_iso mean: 51.0334 Å² / B_iso min: 22.93 Å²

Refinement step

Cycle: final / Resolution: 2.372→37.015 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	8265	0	202	413	8880
B_iso mean	-	-	94.53	55.42	-
Num. residues	-	-	-	-	1063

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.005	8851
X-RAY DIFFRACTION	f_angle_d	0.766	12115
X-RAY DIFFRACTION	f_chiral_restr	0.048	1298
X-RAY DIFFRACTION	f_plane_restr	0.006	1592
X-RAY DIFFRACTION	f_dihedral_angle_d	4.252	7003

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	% reflection obs (%)
2.3721-2.399	0.2843	132	0.2272	2473	96
2.399-2.4272	0.2685	120	0.218	2634	100
2.4272-2.4568	0.2415	158	0.2156	2586	100
2.4568-2.4879	0.2768	101	0.2083	2689	100
2.4879-2.5207	0.267	126	0.1996	2560	100
2.5207-2.5552	0.2537	143	0.2029	2633	100
2.5552-2.5917	0.244	156	0.1928	2567	100
2.5917-2.6304	0.2625	126	0.19	2608	100
2.6304-2.6714	0.2322	158	0.1917	2643	100
2.6714-2.7152	0.2228	117	0.1913	2545	100
2.7152-2.762	0.2255	154	0.1826	2668	100
2.762-2.8122	0.2492	163	0.1799	2582	100
2.8122-2.8663	0.2175	118	0.1824	2626	100
2.8663-2.9248	0.1951	105	0.1748	2640	100
2.9248-2.9884	0.2078	139	0.1672	2667	100
2.9884-3.0578	0.2042	136	0.1653	2633	100
3.0578-3.1343	0.1894	137	0.1701	2590	100
3.1343-3.219	0.2267	145	0.1805	2624	100
3.219-3.3136	0.2093	157	0.1734	2587	100
3.3136-3.4205	0.196	150	0.1675	2638	100
3.4205-3.5427	0.212	137	0.1642	2656	99
3.5427-3.6844	0.189	121	0.1574	2633	100
3.6844-3.8519	0.1607	124	0.1482	2681	99
3.8519-4.0548	0.177	132	0.1413	2643	99
4.0548-4.3085	0.1822	154	0.1404	2650	99
4.3085-4.6405	0.1552	135	0.1296	2657	99
4.6405-5.1065	0.1383	130	0.1397	2688	100
5.1065-5.8429	0.2067	170	0.1652	2672	99
5.8429-7.3519	0.2106	144	0.1815	2695	98
7.3519-37.015	0.1899	153	0.1794	2737	95

Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

ID	L11 (°²)	L12 (°²)	L13 (°²)	L22 (°²)	L23 (°²)	L33 (°²)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å²)	T12 (Å²)	T13 (Å²)	T22 (Å²)	T23 (Å²)	T33 (Å²)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	4.1615	2.4002	0.8426	3.1338	-0.4794	3.3719	0.0772	0.096	0.0276	-0.3577	-0.3486	-0.0988	0.0942	0.7833	0.2243	0.2463	0.0598	-0.0169	0.5812	0.0574	0.4313	126.2345	23.2066	28.3107
2	1.5157	-1.4193	-0.6781	2.5785	-0.1649	2.3492	0.2075	0.2983	-0.0527	-0.023	-0.2697	-0.16	-0.0461	0.112	0.0481	0.3162	-0.0264	-0.0415	0.5189	-0.0008	0.3032	106.4092	36.6867	21.9355
3	1.2638	0.24	0.6959	1.5917	-0.2157	3.5841	0.04	-0.0704	0.0489	0.0127	-0.166	-0.382	-0.6328	0.6354	0.0984	0.4082	-0.1282	-0.0166	0.4876	0.1267	0.3554	116.6924	52.5243	11.7972
4	1.764	-0.338	-1.3378	0.9984	-0.2699	3.5467	0.1375	0.0842	0.3436	0.1616	-0.1034	-0.0341	-0.7125	0.4125	-0.0339	0.3944	-0.0702	-0.0129	0.3285	0.062	0.3266	103.8312	50.4828	30.7716
5	2.5178	-0.5583	0.3698	2.3904	-0.0134	5.4224	0.0107	0.0949	0.2702	0.0989	-0.0473	0.1854	-0.6115	-0.5977	0.0088	0.2655	0.0432	0.0121	0.3197	0.0032	0.2892	91.7609	51.5437	33.0154
6	1.5032	0.577	-0.3694	0.2233	-0.2093	3.9942	-0.1183	0.2642	0.2739	-0.0806	0.0347	0.0718	-0.3498	-0.1185	0.0557	0.3776	0.0256	-0.027	0.3634	0.0797	0.3188	100.2896	48.9342	14.3672
7	5.1031	0.9763	-0.4612	2.3928	-0.0208	4.0523	0.1147	-0.2371	0.0169	0.2767	0.0339	-0.3328	-0.69	0.2944	-0.144	0.3984	-0.0145	-0.0995	0.3792	0.0051	0.2743	65.937	37.2131	45.6943
8	2.0727	0.3357	0.9294	1.8495	-0.0505	3.3415	-0.0839	-0.0915	-0.0288	0.0503	0.0875	-0.036	-0.2665	-0.0066	-0.0251	0.214	0.0121	-0.0332	0.3606	-0.0027	0.2417	56.5774	33.2408	34.2901
9	2.0514	0.1526	0.7843	2.4531	-0.6996	3.2421	0.0348	-0.0354	-0.3121	-0.0934	0.0118	0.0863	0.4664	-0.9343	0.0123	0.2636	-0.0594	-0.0265	0.611	0.0679	0.3996	39.1594	17.3977	33.3145
10	1.8239	1.3502	0.002	1.0368	0.0289	2.2064	-0.1268	0.0375	0.1673	-0.0166	0.1611	0.1652	-0.2087	-0.2982	-0.0683	0.3474	0.0221	-0.126	0.525	0.0842	0.373	48.0046	34.5595	19.3717
11	3.1174	0.438	1.8056	2.0831	0.2564	3.2284	0.2989	-0.3135	-0.6615	0.3736	0.211	-0.5445	0.6342	0.4629	-0.3829	0.5584	0.1205	-0.0925	0.4757	-0.0569	0.4481	52.7773	10.3314	8.7263
12	1.2435	-0.1942	-0.0134	1.8914	1.134	3.5891	0.15	-0.0124	-0.1344	0.001	-0.1106	-0.1248	0.2414	0.2924	-0.1275	0.3739	0.0581	-0.0722	0.4529	-0.0156	0.309	48.1017	18.0501	2.9588
13	1.8636	0.2374	0.0043	1.8609	0.3552	1.6	-0.0694	0.1055	-0.2385	-0.1948	0.2149	-0.2267	-0.0688	0.4329	-0.1035	0.3465	-0.0817	-0.0293	0.5943	-0.0203	0.3299	62.9713	30.7267	16.3689
14	2.0567	-0.888	1.6361	1.4741	-0.3998	2.4463	-0.1962	0.5763	0.4268	-0.0922	-0.0074	-0.3123	-0.5922	0.6481	0.096	0.4892	-0.265	-0.0435	0.5953	0.0686	0.4217	66.6921	41.9826	14.1274
15	2.5787	0.8093	1.4875	2.3007	0.7235	2.1607	0.2091	-0.3152	-0.0872	-0.1839	-0.2307	-0.0497	-0.3605	0.351	0.0152	0.3702	-0.0696	-0.0371	0.5148	0.0119	0.2302	50.9826	32.3478	5.0155
16	1.8306	-1.453	-0.6876	3.3734	0.7336	1.974	-0.083	-0.2968	-0.1042	0.6712	-0.0297	-0.0455	0.2054	0.0601	0.1068	0.3582	-0.1338	-0.0224	0.3763	0.0555	0.3109	104.921	31.3406	53.8321
17	1.0995	-0.2532	-0.2124	1.6399	-0.0915	2.0062	0.0236	-0.1263	0.0321	0.2968	-0.0837	-0.2378	-0.1732	0.4849	0.0485	0.2779	-0.1337	-0.0354	0.3996	0.039	0.3057	110.9922	34.1095	44.0319
18	1.8366	-1.7285	-0.8866	1.7887	1.17	2.3661	0.0395	-0.0273	0.0032	0.2297	-0.0335	-0.0566	0.0968	0.1554	-0.0186	0.227	-0.1027	-0.0045	0.3365	0.0269	0.3274	108.827	33.44	37.1745
19	0.5367	-0.6269	0.2398	1.1184	-0.0083	2.2127	0.0944	0.1571	-0.1125	0.0048	-0.1171	0.1569	0.1075	-0.1055	0.0234	0.2067	-0.0915	-0.0157	0.3224	-0.0014	0.3441	103.6035	30.127	31.1112

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	chain 'B' and (resid 255 through 288 )	B	255 - 288
2	X-RAY DIFFRACTION	2	chain 'B' and (resid 289 through 341 )	B	289 - 341
3	X-RAY DIFFRACTION	3	chain 'B' and (resid 342 through 406 )	B	342 - 406
4	X-RAY DIFFRACTION	4	chain 'B' and (resid 407 through 466 )	B	407 - 466
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 467 through 513 )	B	467 - 513
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 514 through 542 )	B	514 - 542
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 3 through 45 )	A	3 - 45
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 46 through 237 )	A	46 - 237
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 238 through 300 )	A	238 - 300
10	X-RAY DIFFRACTION	10	chain 'A' and (resid 301 through 341 )	A	301 - 341
11	X-RAY DIFFRACTION	11	chain 'A' and (resid 342 through 366 )	A	342 - 366
12	X-RAY DIFFRACTION	12	chain 'A' and (resid 367 through 406 )	A	367 - 406
13	X-RAY DIFFRACTION	13	chain 'A' and (resid 407 through 466 )	A	407 - 466
14	X-RAY DIFFRACTION	14	chain 'A' and (resid 467 through 513 )	A	467 - 513
15	X-RAY DIFFRACTION	15	chain 'A' and (resid 514 through 542 )	A	514 - 542
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 4 through 45 )	B	4 - 45
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 46 through 118 )	B	46 - 118
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 119 through 170 )	B	119 - 170
19	X-RAY DIFFRACTION	19	chain 'B' and (resid 171 through 254 )	B	171 - 254

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